Geometry & MOs

Info

ID:	54099
PubChem CID:	14720119
Reduced:	F2N2O5C28H28 (1)
Stoich.:	A2B2C5D28E28 (1)
Weight, g/mol:	546.326914
ΔH_f, kcal/mol:	-260.56
Dipole, Da:	3.5
IP(EA), eV:	-9.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2,2-difluoro-3-hydroxy-6-methyl-1-[[4-methyl-2-(3-phenylpropyl)pentanoyl]amino]heptan-4-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(C(CNC(=O)CC(=O)OCC2=CC=CC=C2)(F)F)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations